CID 15958949

5-chloro-3-[(3-cyanophenyl)-ethoxy-phosphoryl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C18H15ClN3O3P
SMILES
CCOP(=O)(C1=CC=CC(=C1)C#N)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C18H15ClN3O3P/c1-2-25-26(24,13-5-3-4-11(8-13)10-20)17-14-9-12(19)6-7-15(14)22-16(17)18(21)23/h3-9,22H,2H2,1H3,(H2,21,23)
InChIKey
XIJLDXVJPCVCGJ-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3-cyanophenyl)-ethoxyphosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

387.05396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06124 192.5
[M+Na]+ 410.04318 203.8
[M-H]- 386.04668 195.1
[M+NH4]+ 405.08778 204.0
[M+K]+ 426.01712 195.5
[M+H-H2O]+ 370.05122 176.7
[M+HCOO]- 432.05216 209.7
[M+CH3COO]- 446.06781 226.5
[M+Na-2H]- 408.02863 191.0
[M]+ 387.05341 191.0
[M]- 387.05451 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe